[6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol

C10H18N4O — CID 121204379

IUPAC[6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol
SMILES[N-]=[N+]=NCCN1CC(CO)C2(CCC2)C1
InChIInChI=1S/C10H18N4O/c11-13-12-4-5-14-6-9(7-15)10(8-14)2-1-3-10/h9,15H,1-8H2
InChIKeyNWCCHWXIGTWZOQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.39
Rot. Bonds4

About [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol

[6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol (PubChem CID 121204379) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol.

Molecular Properties

Compound Name[6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol
PubChem CID121204379
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol
SMILES[N-]=[N+]=NCCN1CC(CO)C2(CCC2)C1
InChIInChI=1S/C10H18N4O/c11-13-12-4-5-14-6-9(7-15)10(8-14)2-1-3-10/h9,15H,1-8H2
InChIKeyNWCCHWXIGTWZOQ-UHFFFAOYSA-N
XLogP1.39
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol with MolForge

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Related Compounds

Ethane;(6-methyl-6-azaspiro[3.4]octan-8-yl)methanol
CID 169236503
(6-Tert-butyl-6-azaspiro[3.4]octan-8-yl)methanol
CID 176847675
(2-(2-Azidoethyl)-2-azaspiro[4.4]nonan-4-yl)methanol
CID 121202806
(2-(2-Azidoethyl)-2-azaspiro[4.5]decan-4-yl)methanol
CID 121202856
(6-(2-Aminoethyl)-6-azaspiro[3.4]octan-8-yl)methanol
CID 121204376
2-(8-(Hydroxymethyl)-6-azaspiro[3.4]octan-6-yl)ethan-1-ol
CID 121204378
(6-Amino-6-azaspiro[3.4]octan-8-yl)methanol
CID 121204402
2-Azido-1-(8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl)ethan-1-one
CID 121204405
6-(2-Azidoethyl)-8-(methoxymethyl)-6-azaspiro[3.4]octane
CID 121204413
6-(2-Azidoethyl)-8-(ethoxymethyl)-6-azaspiro[3.4]octane
CID 121204436
2-azido-1-[(8R)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 129495565
2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
CID 129495570

Frequently Asked Questions

What is the IUPAC name of [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol?
The IUPAC name of [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol (CID 121204379) is [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol.
What is the SMILES notation for [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol?
The canonical SMILES for [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol is [N-]=[N+]=NCCN1CC(CO)C2(CCC2)C1.
What is the InChIKey of [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol?
The InChIKey is NWCCHWXIGTWZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-13-12-4-5-14-6-9(7-15)10(8-14)2-1-3-10/h9,15H,1-8H2.
What are the key properties of [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol?
[6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-azidoethyl)-6-azaspiro[3.4]octan-8-yl]methanol is sourced from PubChem (CID 121204379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).